N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide

C22H24N6O3 — CID 92640136

IUPACN-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(=O)c3nccn3C)C2)nc1C
InChIInChI=1S/C22H24N6O3/c1-14-16(21(29)26-17-6-4-5-7-18(17)31-3)12-24-19(25-14)15-8-10-28(13-15)22(30)20-23-9-11-27(20)2/h4-7,9,11-12,15H,8,10,13H2,1-3H3,(H,26,29)/t15-/m0/s1
InChIKeyBUBHXNSOCPTRRF-HNNXBMFYSA-N
MW420.47 g/mol
LogP2.41
Rot. Bonds5

About N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 92640136) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
PubChem CID92640136
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(=O)c3nccn3C)C2)nc1C
InChIInChI=1S/C22H24N6O3/c1-14-16(21(29)26-17-6-4-5-7-18(17)31-3)12-24-19(25-14)15-8-10-28(13-15)22(30)20-23-9-11-27(20)2/h4-7,9,11-12,15H,8,10,13H2,1-3H3,(H,26,29)/t15-/m0/s1
InChIKeyBUBHXNSOCPTRRF-HNNXBMFYSA-N
XLogP2.41
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4-methyl-2-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250619
2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636430
2-[(3S)-1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640153
N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide
CID 110253210
N-(2-methoxyphenyl)-4-methyl-2-(1-propanoylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110084783
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110250622
N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250625
N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 92639521
2-[(3S)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640207
2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110249056
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 95805899
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636493

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide (CID 92640136) is N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(=O)c3nccn3C)C2)nc1C.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is BUBHXNSOCPTRRF-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-14-16(21(29)26-17-6-4-5-7-18(17)31-3)12-24-19(25-14)15-8-10-28(13-15)22(30)20-23-9-11-27(20)2/h4-7,9,11-12,15H,8,10,13H2,1-3H3,(H,26,29)/t15-/m0/s1.
What are the key properties of N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92640136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).